SCHEMBL7440274

SCHEMBL7440274

CCSc1sc(C(=O)N2CCCC2)c2c1C(=O)C(=CO)C(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7440268 1.00 HPGD (0.33) HPGDALDH1A1LMNATSHR
SCHEMBL7429710 0.92 HPGD (0.32) HPGDALDH1A1LMNATSHR
SCHEMBL7429720 0.92 HPGD (0.32) HPGDALDH1A1LMNATSHR
SCHEMBL7442942 0.88 NPSR1 (0.39) HPGDALDH1A1LMNATSHR
SCHEMBL7442946 0.88 NPSR1 (0.39) HPGDALDH1A1LMNATSHR
SCHEMBL7441294 0.87 NPSR1 (0.39) HPGDALDH1A1LMNATSHR
SCHEMBL7437284 0.85 LMNA (0.33) LMNA
SCHEMBL7446073 0.82 ALDH1A1 (0.33) HPGDALDH1A1LMNATSHR
SCHEMBL7446066 0.82 ALDH1A1 (0.33) HPGDALDH1A1LMNATSHR
SCHEMBL7433481 0.81 HPGD (0.38) HPGDALDH1A1LMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143773-A Substituted thienobenzisoxazole derivatives for enhancing cognition MERCK SHARP & DOHME LIMITED (GB) 2000-11-07 US disclosed